N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine

C10H19N3 — CID 134386213

IUPACN-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine
SMILESCCCCN(CC)C1=CC=NCN1
InChIInChI=1S/C10H19N3/c1-3-5-8-13(4-2)10-6-7-11-9-12-10/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyFAWBIQUFPFXZTP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds5

About N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine

N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine (PubChem CID 134386213) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine
PubChem CID134386213
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine
SMILESCCCCN(CC)C1=CC=NCN1
InChIInChI=1S/C10H19N3/c1-3-5-8-13(4-2)10-6-7-11-9-12-10/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyFAWBIQUFPFXZTP-UHFFFAOYSA-N
XLogP1.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine?
The IUPAC name of N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine (CID 134386213) is N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine.
What is the SMILES notation for N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine?
The canonical SMILES for N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine is CCCCN(CC)C1=CC=NCN1.
What is the InChIKey of N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine?
The InChIKey is FAWBIQUFPFXZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-8-13(4-2)10-6-7-11-9-12-10/h6-7,12H,3-5,8-9H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine?
N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine has a molecular weight of 181.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine is sourced from PubChem (CID 134386213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).